CID 135483755

153815-93-1

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC1=C(N=C(NC1=O)OC2CCCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O2/c1-13-16(12-14-8-4-2-5-9-14)19-18(20-17(13)21)22-15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H,19,20,21)
InChIKey
WHDUVNDBXYBPBZ-UHFFFAOYSA-N
Compound name
4-benzyl-2-cyclohexyloxy-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

491
Patents

298.16812 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 171.7
[M+Na]+ 321.15734 177.2
[M-H]- 297.16084 176.5
[M+NH4]+ 316.20194 182.9
[M+K]+ 337.13128 171.5
[M+H-H2O]+ 281.16538 161.2
[M+HCOO]- 343.16632 188.0
[M+CH3COO]- 357.18197 181.0
[M+Na-2H]- 319.14279 174.4
[M]+ 298.16757 167.5
[M]- 298.16867 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.